2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate

C10H11NO4 — CID 152564133

IUPAC2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C10H11NO4/c1-3-15-10(13)8-5-4-7(6-11-8)9(12)14-2/h4-6H,3H2,1-2H3
InChIKeyYQCRGZJDQISUCD-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.04
Rot. Bonds3

About 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate

2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate (PubChem CID 152564133) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
PubChem CID152564133
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C10H11NO4/c1-3-15-10(13)8-5-4-7(6-11-8)9(12)14-2/h4-6H,3H2,1-2H3
InChIKeyYQCRGZJDQISUCD-UHFFFAOYSA-N
XLogP1.04
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
CID 166150412
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate
CID 158862567
dibutyl pyridine-2,5-dicarboxylate
CID 4266603
5-O-[(2S)-1-ethoxy-1-oxopropan-2-yl] 2-O-[(2R)-1-ethoxy-1-oxopropan-2-yl] pyridine-2,5-dicarboxylate
CID 6999262
bis(3-methoxy-2,2-dimethyl-3-oxopropyl) pyridine-2,5-dicarboxylate
CID 14210544
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate?
The IUPAC name of 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate (CID 152564133) is 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate?
The canonical SMILES for 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate is CCOC(=O)c1ccc(C(=O)OC)cn1.
What is the InChIKey of 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate?
The InChIKey is YQCRGZJDQISUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-3-15-10(13)8-5-4-7(6-11-8)9(12)14-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate?
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate has a molecular weight of 209.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate is sourced from PubChem (CID 152564133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).